SCHEMBL4714037

SCHEMBL4714037

O=C(NCCC1CCN(c2ccncc2)CC1)c1cccc(-c2nc3ccccc3o2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.48
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BDKRB1 P46663 8/20 0.46
F10 P00742 1/20 0.45
MAPT P10636 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
DUSP1 P28562 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14587844 0.85 HRH3 (0.50) CETPSMN1; SMN2BDKRB1F10MAPT
SCHEMBL4713068 0.81 BDKRB1 (0.47) CETPKDM4ESMN1; SMN2BDKRB1F10
SCHEMBL4711929 0.81 KDM4E (0.48) KDM4EPOLBSMN1; SMN2BDKRB1F10
SCHEMBL4714139 0.81 BDKRB1 (0.47) CETPBDKRB1F10
SCHEMBL4716488 0.79 CD274 (0.50) BDKRB1F10
SCHEMBL18426900 0.79 MAPT (0.61) HDAC6KDM4EPOLBSMN1; SMN2MAPT
SCHEMBL4790805 0.79 VCP (0.54) BDKRB1
SCHEMBL4714173 0.78 BDKRB1 (0.51) BDKRB1F10
SCHEMBL4714624 0.78 BDKRB1 (0.51) BDKRB1F10
SCHEMBL4759102 0.74 BDKRB1 (0.49) BDKRB1F10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US claimed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 CETP 2680/4885HDAC6 4325/4885KDM4E 4606/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.